BDBM12270 1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)-[[[1-[2-[[2[(cyclopropylmethyl)amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamates::SCH 503034 Analogue 29::tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-{[1-({[(cyclopropylmethyl)carbamoyl]methyl}carbamoyl)-1-oxopentan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

SMILES: CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCC1CC1

InChI Key: InChIKey=CSWRLLXOWGMURC-GZBLRZHSSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12270   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12270 (1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCC1CC1 |r| Show InChI InChI=1S/C33H53N5O7/c1-7-11-22(27(40)29(42)35-17-23(39)34-16-19-14-15-19)36-28(41)26-24-21(33(24,5)6)18-38(26)30(43)25(20-12-9-8-10-13-20)37-31(44)45-32(2,3)4/h19-22,24-26H,7-18H2,1-6H3,(H,34,39)(H,35,42)(H,36,41)(H,37,44)/t21-,22?,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	-9.54	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair